![(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one structure](/static/products/4237/423732-98-3.webp)
(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one
TL;DR: (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one (CAS 423732-98-3) is a chemical compound with molecular formula C27H23ClN4O2S2 and molecular weight 534.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one
Also Known As: (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(4-ethoxyphenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(4-ethoxyphenyl)imino]ethyl}-1H-pyrazol-3-one
| Molecular Formula | C27H23ClN4O2S2 |
|---|---|
| Molecular Weight | 534.10 g/mol |
| LogP | 7.2604 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.0951 |
| Heavy Atoms | 36 |
| Complexity | 1552.1392 |
Chemical Identifiers
| CAS Number | 423732-98-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C(C)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CSC5=CC=C(C=C5)Cl |
Product Overview
(4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one (CAS 423732-98-3), with molecular formula C27H23ClN4O2S2 and molecular weight 534.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one
Property Insights of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one
The XLogP value of 7.2604 indicates that (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one?
The CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one is 423732-98-3.
What is the molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one?
The molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one is C27H23ClN4O2S2.
What is the molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one?
The molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one is 534.10 g/mol.
Where can I buy (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one?
You can request a quote for (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[1-(4-ethoxyanilino)ethylidene]pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.